SCHEMBL8335637

SCHEMBL8335637

CN[C@@H](CC(=O)N1CCn2c(nc(C(=O)O)c2Cl)C1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.49
▸ DPP8 Q6V1X1 9/20 0.48
▸ DPP9 Q86TI2 3/20 0.48
▸ DPP7 Q9UHL4 2/20 0.48
▸ ACE P12821 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ FAP Q12884 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8332960 0.86 DPP4 (0.65) DPP4DPP8DPP9DPP7ACE
SCHEMBL20008504 0.80 DPP4 (0.59) DPP4DPP8DPP9DPP7ACE
SCHEMBL12862439 0.80 DPP4 (0.75) DPP4DPP8DPP9DPP7ACE
SCHEMBL4736463 0.80 DPP4 (0.75) DPP4DPP8DPP9DPP7ACE
SCHEMBL8333784 0.78 DPP4 (0.54) DPP4DPP8DPP9DPP7
SCHEMBL5417652 0.77 DPP4 (0.51) DPP4DPP8DPP9DPP7ACE
SCHEMBL8335635 0.76 DPP4 (0.67) DPP4DPP8DPP9DPP7ACE
SCHEMBL5491148 0.76 DPP4 (0.71) DPP4DPP8DPP9DPP7ACE
SCHEMBL8324895 0.74 DPP4 (0.61) DPP4DPP8DPP9DPP7ACE
SCHEMBL20008503 0.74 DPP4 (0.80) DPP4DPP8DPP9DPP7ACE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004058266-A1 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-07-15 — — WO disclosed
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